SCHEMBL31081285

SCHEMBL31081285

CCS(=O)(=O)c1cc(-c2ccc(C3(F)CC3)cc2)cnc1-c1nc2cc(C(F)(F)C(F)(F)F)nnc2n1C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.32
▸ LPAR1 Q92633 1/20 0.31
▸ LPAR3 Q9UBY5 1/20 0.31
▸ NR1H2 P55055 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25885549 1.00 HSD11B1 (0.32) HSD11B1LPAR1LPAR3NR1H2KCNH2
SCHEMBL25886054 0.94 LPAR1 (0.32) HSD11B1LPAR1LPAR3
SCHEMBL25885914 0.92 HSD11B1 (0.32) HSD11B1LPAR1LPAR3NR1H2KCNH2
SCHEMBL25887845 0.91 LPAR1 (0.32) HSD11B1LPAR1LPAR3
SCHEMBL25885553 0.91 SIGMAR1 (0.36) HSD11B1LPAR1LPAR3
SCHEMBL25885915 0.90 LPAR1 (0.31) HSD11B1LPAR1LPAR3
SCHEMBL25885544 0.89 ALDH1A1 (0.35) HSD11B1KCNH2
SCHEMBL25885922 0.89 LPAR1 (0.32) HSD11B1LPAR1LPAR3
SCHEMBL31081847 0.88 POLB (0.32) NR1H2
SCHEMBL25886061 0.88 POLB (0.32) NR1H2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175558-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYL-SULFONE/SULFOXIMINE-PYRIDINE N-OXIDE DERIVATIVES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2024-08-29 — — WO disclosed
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